Mrv1572004251602252D          

 37 37  0  0  1  0            999 V2000
    5.7158   13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039   13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328   13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473   13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618   13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762   13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2907   13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8631   13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1486   13.6125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.1486   14.4375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.4341   14.8500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.7197   14.4375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.7197   13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5775   13.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8631   14.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4341   15.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052   14.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052   13.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4341   13.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8631   14.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.1486   15.2625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4341   14.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7197   15.2625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052   14.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 22 21  1  1  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 21  1  0  0  0  0
 23 28  1  6  0  0  0
 24 29  1  6  0  0  0
 25 30  1  6  0  0  0
 31 20  1  0  0  0  0
 31 26  1  0  0  0  0
 32 22  1  0  0  0  0
 32 26  1  0  0  0  0
 22 33  1  6  0  0  0
 23 34  1  1  0  0  0
 24 35  1  6  0  0  0
 25 36  1  1  0  0  0
 37 26  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM020984

> <DATABASE_NAME>
chemdb

> <SMILES>
[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)OC([H])(OCCCCCCCCCCCCCCCCCCCC)[C@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C26H52O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-26-25(30)24(29)23(28)22(21-27)32-26/h22-30H,2-21H2,1H3/t22-,23-,24+,25-,26?/m1/s1

> <INCHI_KEY>
DHFUFHYLYSCIJY-XGHLBVCRSA-N

> <FORMULA>
C26H52O6

> <MOLECULAR_WEIGHT>
460.696

> <EXACT_MASS>
460.376389394

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
84

> <JCHEM_AVERAGE_POLARIZABILITY>
58.580297894076025

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(icosyloxy)oxane-3,4,5-triol

> <ALOGPS_LOGP>
6.09

> <JCHEM_LOGP>
6.147584940333333

> <ALOGPS_LOGS>
-5.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.200256715324073

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.210987486903665

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810834105517934

> <JCHEM_POLAR_SURFACE_AREA>
99.38000000000001

> <JCHEM_REFRACTIVITY>
128.16419999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
21

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.39e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(icosyloxy)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

> <NAME>
Arachidyl glucoside

$$$$